Information card for entry 1521283

Structure parameters

• Formula: C63 H88 As Cl7 O2 P2 Pt Ru
• Calculated formula: C63 H88 As Cl7 O2 P2 Pt Ru
• SMILES: [Pt](Cl)(Cl)(Cl)=C=[Ru](Cl)(Cl)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1.[As+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl.OC.O
• Title of publication: Carbide complexes as π-acceptor ligands
• Authors of publication: Reinholdt, Anders; Vibenholt, Johan E.; Morsing, Thorbjørn J.; Schau-Magnussen, Magnus; Reeler, Nini E. A.; Bendix, Jesper
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 10
• Pages of publication: 5815
• a: 11.307 ± 0.0019 Å
• b: 13.305 ± 0.0009 Å
• c: 24.398 ± 0.005 Å
• α: 75.582 ± 0.009°
• β: 88.059 ± 0.013°
• γ: 71.085 ± 0.006°
• Cell volume: 3358.5 ± 0.9 ų
• Cell temperature: 122 ± 2 K
• Ambient diffraction temperature: 122.15 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No